input word = C00044506

Metabolite InformationStructural formula
Name Adinoside D
(-)-Adinoside D
Formula C33H44O20
Mw 760.24259385
CAS RN 613261-51-1
C_ID C00044506 ,
InChIKey ZWGHYMXWGJTBGB-UCHAOFGMNA-N
InChICode InChI=1S/C33H44O20/c1-4-12-14(6-20(35)36)16(28(43)45-3)9-47-30(12)53-33-27(42)25(40)23(38)19(50-33)11-46-21-7-15-13(5-2)31(48-10-17(15)29(44)51-21)52-32-26(41)24(39)22(37)18(8-34)49-32/h4-5,9-10,12-15,18-19,21-27,30-34,37-42H,1-2,6-8,11H2,3H3,(H,35,36)/t12-,13+,14+,15+,18-,19-,21+,22-,23-,24+,25+,26-,27-,30+,31+,32+,33+/m1/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO[C@@H]3C[C@@H]4C(=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4C=C)C(=O)O3)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAdina racemosa Ref.
zoom in